Path |
Digest |
Size |
mordred/ABCIndex.py |
sha256=cah6wdYFhbSlD8KLwHOvnMovDyIWZEN4Gs6QZskQenA
|
1954 |
mordred/AcidBase.py |
sha256=zwDrGGT2IeR2Gskuo9vK3bj-yDDrKkDHlmgHmLqMOIo
|
1810 |
mordred/AdjacencyMatrix.py |
sha256=l1PZVvpFGTyn3YibJ08kWMZd5-TWnb-tEYn4QPXMwWU
|
1230 |
mordred/Aromatic.py |
sha256=E8HgizB-seG5EycLdmilPmpdMEzcEGsZ_yfSy0cYMoA
|
947 |
mordred/AtomCount.py |
sha256=fdyyopoucwVirYP1T17LarPbCV4TQVHsS0BinKW3NoQ
|
2949 |
mordred/Autocorrelation.py |
sha256=Oo4lsS_9qRh2PoFzSJ0-3pP2AsMxPsQU02e-kdCJgms
|
7796 |
mordred/BCUT.py |
sha256=lq4hk11Q1OR5Ica-1nJ6T4L9RAt8fOIbuV9Q74nRh6c
|
3003 |
mordred/BalabanJ.py |
sha256=qy8oe72xVFU1R8v3cLaCsTZweOJQsi4IKtpddXe6kG0
|
733 |
mordred/BaryszMatrix.py |
sha256=TujlcY0v59Uzat4Z1pNUiNmTA9WuO7LmgKmu9VO_E30
|
2410 |
mordred/BertzCT.py |
sha256=L0gWqQ1yjsJ8efqDfsgOGaIzItpvjR3QKDl5Fqt_3OQ
|
711 |
mordred/BondCount.py |
sha256=JmBpsCZzUyCrOwahtF5aM_NGs04VunMMUKY4W_CLjok
|
2711 |
mordred/CPSA.py |
sha256=-l5rtoV2L7SbUoT3V8upDKXpKSvkLjmE2xAMpIgGtyk
|
9304 |
mordred/CarbonTypes.py |
sha256=42reWp7NlLiBAsa5OMRq_wJjRmS3RgKSUmQGM8_CvM4
|
3502 |
mordred/Chi.py |
sha256=TpOS332TewKXlW6JS4ySUqZRbfHgtLr2ocNgfLFM0E8
|
6216 |
mordred/Constitutional.py |
sha256=0lz8SgIFxHjPbTWrtOixhWicdm9-uwlJhPnc9L69U7M
|
1882 |
mordred/DetourMatrix.py |
sha256=rnevYoZCCbbQw7mO_fUIQHe5sl20gHT6rsyosTbTObQ
|
5927 |
mordred/DistanceMatrix.py |
sha256=fym7KASDzgoe2AZvS5tQVWjwHldV1o7LTeaWs2DnhO4
|
1273 |
mordred/EState.py |
sha256=bwjy3jVe1bAx5fseLj95fgdNTIEPZVHKwCnyROs7CvU
|
3679 |
mordred/EccentricConnectivityIndex.py |
sha256=5ovs7mvCl-mvw8faOxjFZTmUxJSShhoVJlxaYTYWev4
|
957 |
mordred/ExtendedTopochemicalAtom.py |
sha256=zczlNh09g2m4ixGEudbTfhMM3igioan86umqqh__cXg
|
20747 |
mordred/FragmentComplexity.py |
sha256=VuaEsI0HlUj_NQGNvBGpcGTOVsCHU6MURuMkOKPlPsg
|
978 |
mordred/Framework.py |
sha256=c-N83HlMRuabIWFLffOSFOPHXxHm-bqSJ-juVSaETI8
|
1873 |
mordred/GeometricalIndex.py |
sha256=hU3Ykk89X3fUKPCtJCI5GFmUedV8CkrTg6cot9HPhKo
|
2504 |
mordred/GravitationalIndex.py |
sha256=l_yLhg_xZ8qA5hPb3NkeXm-q92ZCPsePD24-aENz3oI
|
1459 |
mordred/HydrogenBond.py |
sha256=bB9zSVgcIsCu5z7nKq2CdFXT9QbGXRRVdm-X2T8uzDI
|
1041 |
mordred/InformationContent.py |
sha256=y32D9P_iGGZW4uTXrpau8SzIS4MOrROMfUUxZ52AckA
|
7355 |
mordred/KappaShapeIndex.py |
sha256=-ZpiGVpHr0I9yCOQRGzvrouGE1S3wf_FGkp_lhGi-Us
|
2177 |
mordred/Lipinski.py |
sha256=iO0gFUr-d7xZpnL9nmm3gY0XuE1zhbiHv3Fz-y4d68I
|
1448 |
mordred/LogS.py |
sha256=8lAvHJvSIzjlOQdS7V3Oh0b6KphfZ1CBmBf6KIbKV1A
|
1540 |
mordred/McGowanVolume.py |
sha256=fFVwVnWgXzPxuACjdBZtzfxZU8bb45GpC8HzFp4QObI
|
667 |
mordred/MoRSE.py |
sha256=emJ06hUG-wyCdx8ZfChVNsPLYAeaQUn2QnxbXEkRnps
|
2224 |
mordred/MoeType.py |
sha256=jq0K4cOBTwuoTRu9s62xGUpCnlh2-_GDy_VA7pZowmI
|
2718 |
mordred/MolecularDistanceEdge.py |
sha256=Kgh-gdDxW7fvqZx2jgYgajR3BzmE7UhPAy9LWp12YPE
|
3025 |
mordred/MolecularId.py |
sha256=wcEjwX0NdNZ614qDJvH_1g3BFL8abvGQxW-Ruz923NE
|
4271 |
mordred/MomentOfInertia.py |
sha256=LZTy5dqBidi3iAcNrdtKBg5YZZDROVZmio8ms2kA528
|
1655 |
mordred/PBF.py |
sha256=J3kbEUe01jHM8gXz6yb8kAJKpqjJFxOPLlyecPKCGmg
|
543 |
mordred/PathCount.py |
sha256=YUzAA0QaPbNqECnwIcVaLDQH2kFT862n9hYwXz5tXv0
|
4030 |
mordred/Polarizability.py |
sha256=e0N0siqy0UaC_3offINduAn3DGxQRhsXuePW1AgOoNY
|
1565 |
mordred/RingCount.py |
sha256=-52sVPFCj1vSCZCvUxXqab65TH5OrobSXDbvwvp99M4
|
4512 |
mordred/RotatableBond.py |
sha256=7JPiGUwg-Wh5pf0g_gRqVN7qO-Wltbxcs199_yFWXd0
|
1368 |
mordred/SLogP.py |
sha256=Xow03mZfYKbP8EDcJNuc6_izLGVXnZ6J1J4RVNdM3Pc
|
990 |
mordred/TopoPSA.py |
sha256=UiWfBsZ55V_vKfb7oAMWWRYaxSM8WGAzzbZFNE1A8PQ
|
3438 |
mordred/TopologicalCharge.py |
sha256=qA_brOVoyrtBVPf0qLGsg2g6UTfFBW0g-cIdEQVtNLk
|
2607 |
mordred/TopologicalIndex.py |
sha256=wgCrufoFAsEq5BBfyB6eO4RUHuz1vk10xT4IK4IRFv8
|
2414 |
mordred/VdwVolumeABC.py |
sha256=WVBvgxLHYERPngC_Dgdaj2NHbZIpkpXCDU9fKU8NPVE
|
1602 |
mordred/VertexAdjacencyInformation.py |
sha256=54iDlymvlD9guedaR31s5Q2r9b66_fEmf5K2y-Smxr4
|
943 |
mordred/WalkCount.py |
sha256=ws6hrhPHajsqqPuD8gaHHHD5pPr3QjOFbfHEk497qgI
|
2156 |
mordred/Weight.py |
sha256=9Nmj6Qdy8089ZJRc-q14a0WIAbL6ygQDJ08rnkdJ1Ko
|
1141 |
mordred/WienerIndex.py |
sha256=lmhViZzM-Q_TVLKJGaCTtG3Xx_9gTOSTtFChtMmCtW4
|
995 |
mordred/ZagrebIndex.py |
sha256=xNC6eMgTa3exFgSoHYSioDJD20g3AVR51LK7nTekp6Y
|
2111 |
mordred/__init__.py |
sha256=em1SswuEx9ey6KWke5FYXKv022FZQzDHuWjnr2dhtR4
|
268 |
mordred/__main__.py |
sha256=arjI-KDZlmgEb1clThR4IZpRnX17IKjLCbcBpMv3Fuo
|
6220 |
mordred/_atomic_property.py |
sha256=bdaPIAQvW8Oip6iriOlr32tjRFuKfYPnn_oJKMypqtc
|
8724 |
mordred/_graph_matrix.py |
sha256=8sfJQTOhIqJOaX4yo06tt_bDVnemK8qbVp9Rf-jOUqk
|
3336 |
mordred/_matrix_attributes.py |
sha256=v0lpkbZsDGTzoCbrwI8HGRVeqIm__3H4J3NRZdSqTlg
|
6191 |
mordred/_util.py |
sha256=xRZIWq6cLbU3dohssQcEgKm1NqSf3WPcu4yaVvPSvXs
|
2230 |
mordred/_base/__init__.py |
sha256=i01MngWTkl82uK7dWFU-E94fiYSkPQWvDQIuTRD6FA0
|
2193 |
mordred/_base/calculator.py |
sha256=GNlQemWXP7Perviqk5GHuGMeL08gSVWiJ7k09tDU--U
|
12088 |
mordred/_base/context.py |
sha256=XK6RosGwqlE27R7QZu5-uReONTL8bjmodCiuYuS3sk4
|
2430 |
mordred/_base/descriptor.py |
sha256=QbqFl1BJ3PkUKPTn30TOYcc_YQdkQYX_Vb8eeAmcgKs
|
9681 |
mordred/_base/pandas_module.py |
sha256=bWsDVxi1J26iTMFHFNcrJkHq7LL3HZd_9-bLZ8Yt2LA
|
400 |
mordred/_base/parallel.py |
sha256=-0tedNlgCe4-UxyS0Gs06-5pq5b3qGrQsLEgPuiLkUA
|
2169 |
mordred/_base/result.py |
sha256=5i11mMyQYo93p2N1WpkJMV95DQY0kNn5Sox-E4cM_b0
|
4323 |
mordred/_base/util.py |
sha256=fHSKxI1KF7l8vEhvGGlm21VStcyEkoh86VhsFFYeg6A
|
435 |
mordred/data/allred_rocow_electron_negativity.txt |
sha256=RAVxil8VJaUUR6-zR33Wtk4N0y7eSvzRFac_6AmP2pc
|
1291 |
mordred/data/ionization_potential.txt |
sha256=HPJY5UB_aeKEK8jRlpWQGg2Rp6KtEM34KYLVS5PDOyE
|
2220 |
mordred/data/mass.txt |
sha256=EoeDckfp1BS3-zJyqjZqWkqEV2WiMksaD_UpsD7D9hY
|
2553 |
mordred/data/mc_gowan_volume.txt |
sha256=tFlr3Xj0-F-NG3SuZfC5HSlKAvuKuWNA5PJqfnY-kM0
|
1602 |
mordred/data/pauling_electron_negativity.txt |
sha256=O6Mo2vUuzWj30ey5QATR7rbMRxAXjmV0yItUVmn0mAc
|
1612 |
mordred/data/polarizalibity78.txt |
sha256=EpsNyWD4iR7m7OP1UOVohmLesaI5ClESuJ0S2IASBW4
|
2046 |
mordred/data/polarizalibity94.txt |
sha256=rrXzOw5bRt3hFFYRP4Cq2pcEZ4YQHvB59jDUdfmzPs0
|
2510 |
mordred/data/sanderson_electron_negativity.txt |
sha256=g03d0nHuNKZfB89krvNCGlaToblm4DiqYdRLJg05AGg
|
1472 |
mordred/data/van_der_waals_radii.txt |
sha256=GZdB_XHN5TAN5xNInUElBZdohQ5sw5bzEadDuFnZuRo
|
1569 |
mordred/descriptors/__init__.py |
sha256=0Ob7uKkopVQPwjLeRMNR1k0c1dCoW5FduGSZZ7_8w5E
|
1044 |
mordred/error/__init__.py |
sha256=35Bq5myjiHx5DoT4_845filnI_dxBZozgmxZcfZwhBY
|
2045 |
mordred/surface_area/__init__.py |
sha256=W1UWkMFLmB7JT-eKCqOtMnf2t4RnSwBE7glgoUHQ_Pk
|
519 |
mordred/surface_area/__main__.py |
sha256=uMqmKWXtW38TDbk0cFloXY7FL_em4bbln02ATl0GMH4
|
1422 |
mordred/surface_area/_mesh.py |
sha256=A8FQw0_d3xNOuMSOxO935OOfBMnPO4y127V-ybIyGZE
|
2392 |
mordred/surface_area/_sasa.py |
sha256=g6U0IG4JaCw3_0aW98lck_YAmGhyBRrb3J1D5kgXNTw
|
3433 |
mordred/tests/Dummy.py |
sha256=_ACx8agwWXPFD0r9XZPlU9yiDWAzi5P_5CqbiGvppnY
|
633 |
mordred/tests/__init__.py |
sha256=yESAOSVGUI9Y4Ez7bhPtqz4af1SSQvzeeEV9clyGCz4
|
28 |
mordred/tests/test_ABCIndex.py |
sha256=Xc4kZCctgOgAfQqKwn15WPICoPqXZpl5pbpy0C5J7Bs
|
605 |
mordred/tests/test_ETA.py |
sha256=xCD7pmWhNTaz-JaXRr1RaFS8vm88bOaGLKeDHimMNd8
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4227 |
mordred/tests/test_SASA.py |
sha256=x00GSkHHb_hDnFi52LOOJ3eaUmSG25OM2cnNBt8X_FM
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1554 |
mordred/tests/test_SLogP.py |
sha256=UdsmbZQ9FTdYLkUtj5SKVE7lOx6TSKHezXpIuCsl4WM
|
444 |
mordred/tests/test_VEA.py |
sha256=WeWzV_ojN5CAa_hKYHz5NPy9XKqo5QGJP-3Skb1NNz4
|
4732 |
mordred/tests/test_atomic_property.py |
sha256=MVywZvAvwglLgKfqo74_fnfucum3cbNFPGBdyfL1PMI
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3171 |
mordred/tests/test_attributes.py |
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811 |
mordred/tests/test_by_references.py |
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2024 |
mordred/tests/test_compose_descriptor.py |
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615 |
mordred/tests/test_exceptions.py |
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587 |
mordred/tests/test_import_all_descriptors.py |
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346 |
mordred/tests/test_json.py |
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243 |
mordred/tests/test_mordred_main.py |
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4765 |
mordred/tests/test_pandas.py |
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565 |
mordred/tests/test_parallel.py |
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842 |
mordred/tests/test_pickle.py |
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1013 |
mordred/tests/test_result_type.py |
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2326 |
mordred/tests/references/Aromatic.yaml |
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349 |
mordred/tests/references/CPSA.yaml |
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1525 |
mordred/tests/references/Chi.yaml |
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mordred/tests/references/Constitutional.yaml |
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mordred/tests/references/DistanceEdge.yaml |
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mordred/tests/references/EState.yaml |
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mordred/tests/references/ExtendedTopochemicalAtom.yaml |
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10580 |
mordred/tests/references/FragmentComplexity.yaml |
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mordred/tests/references/Framework.yaml |
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mordred/tests/references/GeometricalIndex.yaml |
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mordred/tests/references/GravitationalIndex.yaml |
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2177 |
mordred/tests/references/Indices.yaml |
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2546 |
mordred/tests/references/InformationContent.yaml |
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mordred/tests/references/Lipinski.yaml |
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mordred/tests/references/LogS.yaml |
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mordred/tests/references/MoRSE.yaml |
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mordred/tests/references/MolecularId.yaml |
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mordred/tests/references/MomentOfInertia.yaml |
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mordred/tests/references/PathCount.yaml |
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mordred/tests/references/Polarizability.yaml |
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mordred/tests/references/Ring.yaml |
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mordred/tests/references/Smarts.yaml |
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mordred/tests/references/TopoPSA.yaml |
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mordred/tests/references/TopologicalCharge.yaml |
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mordred/tests/references/VAdjMat.yaml |
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mordred/tests/references/Walk.yaml |
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mordred/tests/references/structures.sdf |
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mordred/tests/references/structures.smi |
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mordred/tests/references/Atom/AtomCount.yaml |
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mordred/tests/references/Atom/CarbonTypes.yaml |
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mordred/tests/references/Autocorrelation/AATS.yaml |
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mordred/tests/references/Autocorrelation/AATSC.yaml |
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mordred/tests/references/Autocorrelation/ATS.yaml |
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mordred/tests/references/Autocorrelation/ATSC.yaml |
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10102 |
mordred/tests/references/Autocorrelation/GATS.yaml |
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mordred/tests/references/Autocorrelation/MATS.yaml |
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9170 |
mordred/tests/references/Bond/BondTypes.yaml |
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mordred/tests/references/Bond/HBond.yaml |
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mordred/tests/references/Bond/Rotatable.yaml |
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mordred/tests/references/Matrix/BCUT.yaml |
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mordred/tests/references/Matrix/barysz.yaml |
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mordred/tests/references/Matrix/detour.yaml |
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mordred/tests/references/Matrix/distance.yaml |
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mordred/tests/references/Property/McGowanVolume.yaml |
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mordred/tests/references/Property/Vabc.yaml |
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mordred/tests/references/Property/Weight.yaml |
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mordredcommunity-2.0.6.dist-info/RECORD |
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